Basic information
- Standard SMILES
O=C(O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12- InChIKey
YAVQLLRNXSPDSY-UHFFFAOYSA-N- Molecular formula
- C13H8BrN3O4S2
- Average molar mass
- 414.3 g/mol
Names & identifiers
- Preferred name
- 2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-bromobenzoic acid
- IUPAC
- 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-bromobenzoic acid
Names & synonyms
Oprea1_609782SCHEMBL3741036YAVQLLRNXSPDSY-UHFFFAOYSA-N2-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-bromo-benzoic acid2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-bromobenzoic acid
Database identifiers
- PubChem CID
- 16090744
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 556
Related reactions
15 records
Compound notes
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